[4-(2,5-dihydropyrrol-1-yl)-2-oxidanyl-phenyl] 4-(4-azanyl-3-oxidanyl-phenyl)-3-bromanyl-butanoate

Systemtic Name: [4-(2,5-dihydropyrrol-1-yl)-2-oxidanyl-phenyl] 4-(4-azanyl-3-oxidanyl-phenyl)-3-bromanyl-butanoate Openeye Name: [4-(2,5-dihydropyrrol-1-yl)-2-hydroxy-phenyl] 4-(4-amino-3-hydroxy-phenyl)-3-bromo-butanoate CAS Name: 4-(4-amino-3-hydroxyphenyl)-3-bromobutanoic acid [4-(2,5-dihydropyrrol-1-yl)-2-hydroxyphenyl] ester IUPAC Name: [4-(2,5-dihydropyrrol-1-yl)-2-hydroxyphenyl] 4-(4-amino-3-hydroxyphenyl)-3-bromobutanoate Traditional Name: 4-(4-amino-3-hydroxy-phenyl)-3-bromo-butyric acid [2-hydroxy-4-(3-pyrrolin-1-yl)phenyl] ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN1C2=CC(=C(C=C2)OC(=O)CC(CC3=CC(=C(C=C3)N)O)Br)O

Isomeric SMILES

C1C=CCN1C2=CC(=C(C=C2)OC(=O)CC(CC3=CC(=C(C=C3)N)O)Br)O

InChI

InChI=1S/C20H21BrN2O4/c21-14(9-13-3-5-16(22)17(24)10-13)11-20(26)27-19-6-4-15(12-18(19)25)23-7-1-2-8-23/h1-6,10,12,14,24-25H,7-9,11,22H2